[2-(3-chlorophenyl)-4-fluorophenyl]boronic acid

C12H9BClFO2 — CID 142746924

IUPAC[2-(3-chlorophenyl)-4-fluorophenyl]boronic acid
SMILESOB(O)c1ccc(F)cc1-c1cccc(Cl)c1
InChIInChI=1S/C12H9BClFO2/c14-9-3-1-2-8(6-9)11-7-10(15)4-5-12(11)13(16)17/h1-7,16-17H
InChIKeyBLXXDTJQEVVXED-UHFFFAOYSA-N
MW250.47 g/mol
LogP1.83
Rot. Bonds2

About [2-(3-chlorophenyl)-4-fluorophenyl]boronic acid

[2-(3-chlorophenyl)-4-fluorophenyl]boronic acid (PubChem CID 142746924) has the molecular formula C12H9BClFO2 and a molecular weight of 250.47 g/mol. Its IUPAC name is [2-(3-chlorophenyl)-4-fluorophenyl]boronic acid.

Molecular Properties

Compound Name[2-(3-chlorophenyl)-4-fluorophenyl]boronic acid
PubChem CID142746924
Molecular FormulaC12H9BClFO2
Molecular Weight250.47 g/mol
Exact Mass250.04
IUPAC Name[2-(3-chlorophenyl)-4-fluorophenyl]boronic acid
SMILESOB(O)c1ccc(F)cc1-c1cccc(Cl)c1
InChIInChI=1S/C12H9BClFO2/c14-9-3-1-2-8(6-9)11-7-10(15)4-5-12(11)13(16)17/h1-7,16-17H
InChIKeyBLXXDTJQEVVXED-UHFFFAOYSA-N
XLogP1.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.47
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [2-(3-chlorophenyl)-4-fluorophenyl]boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)-4-fluorophenyl]boronic acid?
The IUPAC name of [2-(3-chlorophenyl)-4-fluorophenyl]boronic acid (CID 142746924) is [2-(3-chlorophenyl)-4-fluorophenyl]boronic acid.
What is the SMILES notation for [2-(3-chlorophenyl)-4-fluorophenyl]boronic acid?
The canonical SMILES for [2-(3-chlorophenyl)-4-fluorophenyl]boronic acid is OB(O)c1ccc(F)cc1-c1cccc(Cl)c1.
What is the InChIKey of [2-(3-chlorophenyl)-4-fluorophenyl]boronic acid?
The InChIKey is BLXXDTJQEVVXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BClFO2/c14-9-3-1-2-8(6-9)11-7-10(15)4-5-12(11)13(16)17/h1-7,16-17H.
What are the key properties of [2-(3-chlorophenyl)-4-fluorophenyl]boronic acid?
[2-(3-chlorophenyl)-4-fluorophenyl]boronic acid has a molecular weight of 250.47 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)-4-fluorophenyl]boronic acid is sourced from PubChem (CID 142746924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).